SCHEMBL8613770

SCHEMBL8613770

CN(C)c1ccc(P(c2ccc(N(C)C)cc2)c2ccc3ccccc3c2-c2c(O)ccc3ccccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RRM1 P23921 1/20 0.45
MAPT P10636 8/20 0.40
IDO1 P14902 1/20 0.40
TDP1 Q9NUW8 5/20 0.40
GAA P10253 4/20 0.40
ALDH1A1 P00352 4/20 0.40
POLB P06746 3/20 0.40
KDM4E B2RXH2 4/20 0.39
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
PTPN22 Q9Y2R2 1/20 0.37
RAB9A P51151 2/20 0.36
CNR2 P34972 1/20 0.36
ALOX5 P09917 1/20 0.36
NOX1 Q9Y5S8 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
NSD2 O96028 1/20 0.35
OPRM1 P35372 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL635353 0.92 ALOX5 (0.40) RRM1MAPTIDO1TDP1GAA
Hydrochloric Acid SCHEMBL16561297 0.89 MAPT (0.40) RRM1MAPTIDO1TDP1GAA
SCHEMBL8611685 0.87 RRM1 (0.43) RRM1MAPTIDO1TDP1GAA
SCHEMBL8615984 0.87 RRM1 (0.41) RRM1MAPTIDO1TDP1GAA
SCHEMBL4004222 0.84 PTPN22 (0.44) MAPTGAAALDH1A1POLBKDM4E
SCHEMBL6928512 0.84 PTPN22 (0.44) MAPTGAAALDH1A1POLBKDM4E
Perchlorate SCHEMBL637063 0.81 ALOX5 (0.34) RRM1MAPTTDP1GAAALDH1A1
SCHEMBL635117 0.80 MAPT (0.39) RRM1MAPTIDO1TDP1GAA
SCHEMBL7590618 0.79 MAPT (0.43) RRM1MAPTTDP1POLBKDM4E
SCHEMBL28081794 0.78 CHRM5 (0.43) MAPTTDP1ALDH1A1POLBKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5789623-A Process for the preparation of hydroxybiarylphosphines and novel compounds of this group of substances HOECHST AKTIENGESELLSCHAFT (DE) 1998-08-04 US disclosed
EP-0748811-A1 Process for the preparation of hydroxybiarylphosphanes and novel compounds from this materials group HOECHST AKTIENGESELLSCHAFT (DE) 1996-12-18 EP disclosed